SCHEMBL7086741

SCHEMBL7086741

COc1ccc2c(c1)C=CC1(CCCCC1)N2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 3/20 0.50
HTR2C P28335 1/20 0.40
SNCA P37840 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
LRRK2 Q5S007 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HTR5A P47898 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7649996 0.99 PDE7A (0.49) PDE7AHTR2CSNCAMEN1KMT2A
SCHEMBL29373570 0.85 ALDH1A1 (0.40) PDE7AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6984818 0.85 ALDH1A1 (0.40) PDE7AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7081351 0.85 SLC6A2 (0.38) PDE7ASLC6A4SLC6A3
Hydrochloric Acid SCHEMBL7654967 0.83 ALDH1A1 (0.39) PDE7AMEN1KMT2AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7658370 0.83 SLC6A2 (0.37) PDE7ASLC6A4SLC6A3
SCHEMBL7085627 0.82 MAOB (0.40) PDE7AMAOAMAOBALDH1A1LMNA
Hydrochloric Acid SCHEMBL7661598 0.81 MAOB (0.39) PDE7AMEN1KMT2AMAOAMAOB
SCHEMBL7083506 0.79 ELANE (0.39) PDE7AMEN1KMT2A
SCHEMBL10841242 0.76 ALDH1A1 (0.46) PDE7AHTR2CSNCAMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0995743-B1 Derivatives of dihydro- and tetrahydrochinoline as a medicinal antioxydans SERVIER LAB (FR) 2003-04-02 EP disclosed
US-6350759-B1 ANTIOXIDATIVE AGENTS FOR OXIDATION STRESS, ESPECIALLY AT THE CEREBRAL LEVEL; ADIR ET COMPAGNIE (FR) 2002-02-26 US disclosed
EP-0995743-A1 Derivatives of dihydro- and tetrahydrochinoline as a medicinal antioxydans ADIR ET COMPAGNIE (FR) 2000-04-26 EP disclosed